Published June 3, 2026
| Version v0.1.2
Software
Open
Lacuna: Cryptic Binding Pocket Discovery via Conformational Ensemble Analysis
Authors/Creators
Description
Lacuna discovers cryptic binding pockets in proteins by generating a conformational ensemble, detecting pockets per conformer, clustering across the ensemble, and ranking by persistence and druggability. Validated on 20 cryptic-pocket targets (14/20, 70%), matching the CryptoSite benchmark. Supports RandomBackend (CPU, ~1–4 s/protein) and Boltz-2 partial diffusion for harder targets.
Notes
Files
mooreneural/lacuna-v0.1.2.zip
Files
(1.8 MB)
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md5:cf7cd630d178468b53da20f5591925e5
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Additional details
Related works
- Is supplement to
- Software: https://github.com/mooreneural/lacuna/tree/v0.1.2 (URL)
Software
- Repository URL
- https://github.com/mooreneural/lacuna